Geometry & MOs

Info

ID:	81998
PubChem CID:	49855459
Reduced:	O4N5C23H27 (1)
Stoich.:	A4B5C23D27 (1)
Weight, g/mol:	460.222289
ΔH_f, kcal/mol:	-87.48
Dipole, Da:	4.6
IP(EA), eV:	-8.73(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[4-(4-morpholin-4-yl-7-pyridin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenyl]urea

Drug info:

PubChemData

Smile

C1CC2=C(N=C(N=C2OC1)C3=CC=C(C=C3)NC(=O)NC4COC4)N5[C@@H]6CC[C@H]5COC6

DOS

IR

Vibrations